Monomers

2-Methoxyprop-2-enenitrile

Identifiers

IUPAC name
2-methoxyprop-2-enenitrile
InchI
InChI=1S/C4H5NO/c1-4(3-5)6-2/h1H2,2H3
InchI Key
PEIBTJDECFEPAF-UHFFFAOYSA-N
SMILES
COC(=C)C#N
Canonical SMILES
COC(=C)C#N
Isomeric SMILES
COC(=C)C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5NO
Heavy Atom Count
6
Molecular Weight
83.09
Exact Molecular Weight
83.0371
Valence Electrons
32
Radical Electrons
0
tPSA
33.02
MolLogP
0.6701
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.6159    0.2237   -0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7787    0.0241    0.5966 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5992   -0.0271    0.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1783   -1.1646    0.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3515    1.1990    0.6825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9479    2.1783    0.8551 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4883   -0.5787   -1.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3608    1.2362   -0.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6722    0.1681   -0.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5959   -2.0461    0.0511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2430   -1.2128    0.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  3  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  4 10  1  0
  4 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers